SCHEMBL2818017

SCHEMBL2818017

CC1(C)C(=O)c2cccc(Cl)c2C1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYMS P04818 1/20 0.52
NSD2 O96028 3/20 0.40
CES1 P23141 2/20 0.40
BCHE P06276 1/20 0.40
DAO P14920 1/20 0.40
CA1 P00915 5/20 0.39
CA2 P00918 5/20 0.39
CA7 P43166 5/20 0.39
CA9 Q16790 5/20 0.39
ADORA2A P29274 1/20 0.39
ADCY2 Q08462 1/20 0.38
PGR P06401 1/20 0.38
KDM4E B2RXH2 1/20 0.37
APAF1 O14727 1/20 0.37
TDP2 O95551 1/20 0.37
ABL1 P00519 1/20 0.37
MAPT P10636 1/20 0.37
GALK1 P51570 1/20 0.37
BLM P54132 1/20 0.37
RIN1 Q13671 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11592235 0.78 S100A4 (0.44) NSD2CES1BCHEDAOCA1
SCHEMBL11144606 0.76 CA1 (0.44) NSD2CES1BCHEDAOCA1
SCHEMBL279560 0.73 TYMS (0.62) TYMSNSD2CES1BCHECA1
SCHEMBL30800362 0.73 TYMS (0.62) TYMSNSD2CES1BCHECA1
SCHEMBL7477188 0.72 NSD2 (0.53) TYMSNSD2CES1BCHEDAO
SCHEMBL22797682 0.69 CES1 (0.46) NSD2CES1BCHEDAOADORA2A
SCHEMBL14939587 0.69 NSD2 (0.39) NSD2CES1BCHEDAOCA1
SCHEMBL125609 0.69 NSD2 (0.55) NSD2CES1BCHEDAOADORA2A
SCHEMBL4585020 0.69 NSD2 (0.55) NSD2CES1BCHEDAOADORA2A
SCHEMBL31591201 0.68 PDK2 (0.54) TYMSADORA2APGRPDK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
US-8436035-B2 Organic compounds NOVARTIS AG (CH) 2013-05-07 US disclosed
EP-2213668-A2 Imidazoles as aldosterone synthase inhibitors Novartis AG (CH) 2010-08-04 EP disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
US-20100048562-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-25 US disclosed
EP-2094680-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS Novartis AG (CH) 2009-09-02 EP disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO disclosed
WO-2008076336-A2 IMIDAZOLES AS ALDOSTERONE SYNTHASE INHIBITORS NOVARTIS AG (CH) 2008-06-26 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100048562-A1 ORGANIC COMPOUNDS CYP11B1, HSD11B1, CYP17A1 TYMS 2912/4885NSD2 4744/4885CES1 88/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.